3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide

C21H22N6O — CID 121112848

IUPAC3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)c1
InChIInChI=1S/C21H22N6O/c1-16-5-4-6-17(13-16)20(28)25-18-14-23-21(24-15-18)27-11-9-26(10-12-27)19-7-2-3-8-22-19/h2-8,13-15H,9-12H2,1H3,(H,25,28)
InChIKeyILGYKIITEIBBGL-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.76
Rot. Bonds4

About 3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide

3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 121112848) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID121112848
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)c1
InChIInChI=1S/C21H22N6O/c1-16-5-4-6-17(13-16)20(28)25-18-14-23-21(24-15-18)27-11-9-26(10-12-27)19-7-2-3-8-22-19/h2-8,13-15H,9-12H2,1H3,(H,25,28)
InChIKeyILGYKIITEIBBGL-UHFFFAOYSA-N
XLogP2.76
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122300042
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112852
3,4,5-trimethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112859
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 71790052
N-(3-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286617
1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122300047
3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 46157259
3-methyl-N-[2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]benzamide
CID 111220169

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide (CID 121112848) is 3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide is Cc1cccc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)c1.
What is the InChIKey of 3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is ILGYKIITEIBBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-16-5-4-6-17(13-16)20(28)25-18-14-23-21(24-15-18)27-11-9-26(10-12-27)19-7-2-3-8-22-19/h2-8,13-15H,9-12H2,1H3,(H,25,28).
What are the key properties of 3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 374.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 121112848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).